Issues

• Basis normalization bug: uniform raw coefficient scaling changes overlaps and SCF energies

  Bug

  microsoft/qdk-chemistry#773 · Filter by author ConradJohnston opened on Oct 14, 2026

• X2C builder bug: primitive screening can erase a valid contracted function

  Bug

  microsoft/qdk-chemistry#772 · Filter by author ConradJohnston opened on Oct 14, 2026

• Add missing Python docstring and documentation for DoubleFactorization.hash binding

  documentationtriage
  microsoft/qdk-chemistry#735 · Filter by author denizguney opened on Sep 27, 2026

• Test tutorial notebook visualization outputs in CI

  CI/CDdocumentationenhancement
  Task

  microsoft/qdk-chemistry#722 · Filter by author sobolevnrm opened on Sep 9, 2026
  

• Correct the CASCI reference input description in the molecular QPE tutorial

  documentationtriage
  microsoft/qdk-chemistry#720 · Filter by author sobolevnrm opened on Sep 8, 2026
  

• Avoid asserting an unreproduced minority IQPE bitstring in the molecular QPE tutorial

  documentationtriage
  microsoft/qdk-chemistry#719 · Filter by author sobolevnrm opened on Sep 8, 2026
  

• Support 2-body tensors without full 8-fold symmetry

  microsoft/qdk-chemistry#684 · Filter by author eimrek opened on Aug 26, 2026
  

• Standardize bit/qubit representation conversions

  refactor/cleaningtriage
  microsoft/qdk-chemistry#683 · Filter by author RushiGong opened on Aug 25, 2026
  

• Move Q# Test Helpers to Standalone Test Files

  documentationtriage
  Feature

  microsoft/qdk-chemistry#675 · Filter by author YingrongChen opened on Aug 25, 2026
  

• Add a utility to construct BasisSet from the Basis Set Exchange (BSE)

  enhancement
  Feature

  microsoft/qdk-chemistry#672 · Filter by author wavefunction91 opened on Aug 24, 2026

• Add utility to construct BasisSet from local file definition

  enhancement
  Feature

  microsoft/qdk-chemistry#671 · Filter by author wavefunction91 opened on Aug 24, 2026

• Create one reliable, cross-platform approach to file handling

  microsoft/qdk-chemistry#655 · Filter by author ConradJohnston opened on Aug 19, 2026
  

• Align OrbitalLocalizer naming across Python and C++

  refactor/cleaningtriage
  microsoft/qdk-chemistry#646 · Filter by author ConradJohnston opened on Aug 17, 2026
  

• Generate stable circuit image assets from QDK/Chemistry tutorial workflows

  documentationenhancement
  microsoft/qdk-chemistry#628 · Filter by author sobolevnrm opened on Aug 8, 2026
  1

  

• Add an energy-accounting figure to the molecular QPE tutorial

  documentationenhancement
  microsoft/qdk-chemistry#627 · Filter by author sobolevnrm opened on Aug 8, 2026
  

• Audit assumed-knowledge transitions in the molecular QPE tutorial

  documentationtriage
  microsoft/qdk-chemistry#626 · Filter by author sobolevnrm opened on Aug 8, 2026
  1

  

• cmake --build --target all fails: third-party lapackpp_tester requires a newer LAPACKE than the system provides

  bugCI/CDtriage
  microsoft/qdk-chemistry#616 · Filter by author wavefunction91 opened on Aug 4, 2026

• Fortran language is never enabled, so blaspp emits no BLAS_* defines and the chemistry library fails to build

  bugCI/CDtriage
  microsoft/qdk-chemistry#615 · Filter by author wavefunction91 opened on Aug 4, 2026
  1

• Building the Python package against an installed qdk duplicates AlgorithmFactory registry statics

  bugCI/CDtriage
  microsoft/qdk-chemistry#613 · Filter by author wavefunction91 opened on Aug 4, 2026

• Track version-specific documentation after releases

  CI/CDdocumentationenhancement
  microsoft/qdk-chemistry#605 · Filter by author sobolevnrm opened on Aug 2, 2026

• Replace deprecated MP2 natural-orbital API in stretched N2 example

  documentationtriage
  microsoft/qdk-chemistry#594 · Filter by author sobolevnrm opened on Jul 30, 2026

• Better UX for Algorithms with default pointing to optional plugins

  documentationrefactor/cleaning
  Task

  microsoft/qdk-chemistry#591 · Filter by author nabbelbabbel opened on Jul 29, 2026

• Hamiltoninan construction causes OOM issue for large systems

  enhancementtriage
  microsoft/qdk-chemistry#578 · Filter by author vbarandun opened on Jul 16, 2026
  4

• Automate the docs build upon release

  enhancement
  microsoft/qdk-chemistry#576 · Filter by author wavefunction91 opened on Jul 15, 2026
  

• Davidson eigensolver unstable performance

  questiontriage
  microsoft/qdk-chemistry#558 · Filter by author BoqinZhang opened on Jul 2, 2026
  2